⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL15044233 | 0.75 | — | — | |
| SCHEMBL320068 | 0.72 | — | — | |
| SCHEMBL3060269 | 0.72 | MMP1 (0.48) | — | |
| SCHEMBL28293734 | 0.72 | MMP1 (0.48) | — | |
| SCHEMBL22661435 | 0.71 | MCL1 (0.44) | — | |
| SCHEMBL8950826 | 0.69 | — | — | |
| SCHEMBL5909428 | 0.69 | MCL1 (0.55) | — | |
| SCHEMBL42050 | 0.69 | — | — | |
| SCHEMBL31852 | 0.69 | — | — | |
| SCHEMBL27977830 | 0.69 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9173959-B1 | Anti-DLL3 antibody drug conjugates | STEMCENTRX, INC. (US) | 2015-11-03 | — | — | US | disclosed |
| WO-2013089212-A1 | SUBSTITUTED TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | 塩野義製薬株式会社 (JP) | 2013-06-20 | — | — | WO | disclosed |